3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine

C9H9BrN4 — CID 61375619

IUPAC3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
SMILESBrc1cccnc1NCc1ccn[nH]1
InChIInChI=1S/C9H9BrN4/c10-8-2-1-4-11-9(8)12-6-7-3-5-13-14-7/h1-5H,6H2,(H,11,12)(H,13,14)
InChIKeyHEEMQGVUKSHKML-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.18
Rot. Bonds3

About 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine

3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine (PubChem CID 61375619) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
PubChem CID61375619
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine
SMILESBrc1cccnc1NCc1ccn[nH]1
InChIInChI=1S/C9H9BrN4/c10-8-2-1-4-11-9(8)12-6-7-3-5-13-14-7/h1-5H,6H2,(H,11,12)(H,13,14)
InChIKeyHEEMQGVUKSHKML-UHFFFAOYSA-N
XLogP2.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine (CID 61375619) is 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine is Brc1cccnc1NCc1ccn[nH]1.
What is the InChIKey of 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
The InChIKey is HEEMQGVUKSHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c10-8-2-1-4-11-9(8)12-6-7-3-5-13-14-7/h1-5H,6H2,(H,11,12)(H,13,14).
What are the key properties of 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine?
3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine has a molecular weight of 253.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-pyrazol-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 61375619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).